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Sugi Predict / Compounds / SCHEMBL30595758

SCHEMBL30595758

SCHEMBL30595758

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CC

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IL23R Q5VWK5 16/20 0.57
▸ KEAP1 Q14145 1/20 0.55
▸ ECE1 P42892 1/20 0.55
▸ GLP1R P43220 1/20 0.55
▸ MUS81 Q96NY9 1/20 0.55
▸ CXCR4 P61073 1/20 0.54
▸ PTH1R Q03431 1/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30094127 0.98 IL23R (0.57) IL23RKEAP1ECE1GLP1RMUS81
SCHEMBL31234428 0.94 IL23R (0.57) IL23RKEAP1ECE1GLP1RMUS81
SCHEMBL30607340 0.90 GLP1R (0.59) IL23RECE1GLP1RMUS81CXCR4
SCHEMBL7149265 0.89 IL23R (0.60) IL23RKEAP1PTH1R
SCHEMBL30607281 0.89 PTH1R (0.65) IL23RKEAP1ECE1GLP1RMUS81
SCHEMBL31182536 0.88 PTH1R (0.62) IL23RKEAP1ECE1GLP1RMUS81
SCHEMBL31013478 0.88 PTH1R (0.59) IL23RKEAP1ECE1GLP1RMUS81
SCHEMBL31013468 0.88 PTH1R (0.59) IL23RKEAP1ECE1GLP1RMUS81
SCHEMBL30571122 0.87 PTH1R (0.60) IL23RKEAP1ECE1GLP1RMUS81
SCHEMBL30645560 0.87 PRMT1 (0.60) IL23RECE1GLP1RMUS81

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113717935-B Application of Nigroain-E1 polypeptide in maintaining adipose-derived stem cell (Stem) stem property 北京多能赛尔生物科技有限公司 2023-09-26 — — CN claimed
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